Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C(=O)OC1CC2CCC(C1)N2C
InChIKey
InChIKey=OZKTVDIYALBSMA-UHFFFAOYSA-N
Formula
C16H21NO4
Mass
291.347
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
M-methoxybenzoic acids and derivatives
Alternative Parents
p-Hydroxybenzoic acid alkyl esters Methoxyphenols Tropane alkaloids Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Piperidines N-alkylpyrrolidines Trialkylamines Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Benzoate ester - Methoxyphenol - Tropane alkaloid - Phenoxy compound - Phenol ether - Anisole - Benzoyl - Methoxybenzene - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Piperidine - N-alkylpyrrolidine - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.
External Descriptors
CHEBI:8176 :
methoxybenzoic acid
KEGG (C10863) :
Tropane alkaloids